Methyl hexahydro-1H-pyrrolizine-7a-carboxylate
TL;DR: Methyl hexahydro-1H-pyrrolizine-7a-carboxylate (CAS 117375-15-2) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
Also Known As: Methyl hexahydro-1H-pyrrolizine-7a-carboxylate, Methyl tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate, methyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate, 2832AA, Methyl 5-azabicyclo[3.3.0]octanecarboxylate
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 117375-15-2 |
|---|---|
| SMILES | COC(=O)C12CCCN1CCC2 |
| InChIKey | HBZKVVLPFLBBNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl hexahydro-1H-pyrrolizine-7a-carboxylate (CAS 117375-15-2), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: methyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
Chemical Property Profile of Methyl hexahydro-1H-pyrrolizine-7a-carboxylate
Property Insights of Methyl hexahydro-1H-pyrrolizine-7a-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl hexahydro-1H-pyrrolizine-7a-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl hexahydro-1H-pyrrolizine-7a-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl hexahydro-1H-pyrrolizine-7a-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl hexahydro-1H-pyrrolizine-7a-carboxylate?
The CAS number of Methyl hexahydro-1H-pyrrolizine-7a-carboxylate is 117375-15-2.
What is the molecular formula of Methyl hexahydro-1H-pyrrolizine-7a-carboxylate?
The molecular formula of Methyl hexahydro-1H-pyrrolizine-7a-carboxylate is C9H15NO2.
What is the molecular weight of Methyl hexahydro-1H-pyrrolizine-7a-carboxylate?
The molecular weight of Methyl hexahydro-1H-pyrrolizine-7a-carboxylate is 169.11 g/mol.
Where can I buy Methyl hexahydro-1H-pyrrolizine-7a-carboxylate?
You can request a quote for Methyl hexahydro-1H-pyrrolizine-7a-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl hexahydro-1H-pyrrolizine-7a-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl hexahydro-1H-pyrrolizine-7a-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.